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Last change
on this file since 3854 was
2696,
checked in by kanani, 7 years ago
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Merge of branch palm4u into trunk
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File size:
1.5 KB
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| 1 | {simple.spc |
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| 2 | Former revisions |
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| 3 | ---------------- |
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| 4 | $Id: smog.spc 2459 2017-09-13 14:10:33Z forkel $ |
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| 5 | } |
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| 6 | #include atoms |
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| 7 | |
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| 8 | #DEFVAR |
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| 9 | O = O ; {oxygen atomic ground state (3P)} |
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| 10 | O3 = 3O ; {ozone} |
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| 11 | NO = N + O ; {nitric oxide} |
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| 12 | NO2 = N + 2O ; {nitrogen dioxide} |
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| 13 | NO3 = N + 3O ; {nitrogen trioxide} |
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| 14 | N2O5 = 2N + 5O ; {dinitrogen pentoxide} |
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| 15 | HNO3 = H + N + 3O ; { nitric acid } |
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| 16 | HNO4 = H + N + 4O ; {HO2NO2 pernitric acid} |
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| 17 | H = H ; {hydrogen atomic ground state (2S)} |
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| 18 | OH = O + H ; {hydroxyl radical} |
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| 19 | HO2 = H + 2O ; {perhydroxyl radical} |
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| 20 | H2O2 = 2H + 2O ; {hydrogen peroxide} |
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| 21 | CH3 = C + 3H ; {methyl radical} |
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| 22 | CH3O = C + 3H + O ; {methoxy radical} |
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| 23 | CH3O2 = C + 3H + 2O ; {methylperoxy radical} |
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| 24 | CH3OOH = C + 4H + 2O ; {CH4O2 methylperoxy alcohol} |
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| 25 | HCO = H + C + O ; {CHO formyl radical} |
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| 26 | CH2O = C + 2H + O ; {formalydehyde} |
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| 27 | CO = C + O ; {carbon monoxide} |
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| 28 | |
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| 29 | RH = ignore ; |
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| 30 | RO2 = ignore ; |
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| 31 | RCHO = ignore ; |
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| 32 | RCOO2 = ignore ; |
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| 33 | RCOO2NO2= ignore ; |
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| 34 | |
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| 35 | #DEFFIX |
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| 36 | H2O = H + 2O ; {water} |
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| 37 | H2 = 2H ; {molecular hydrogen} |
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| 38 | O2 = 2O ; {molecular oxygen} |
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| 39 | N2 = 2N ; {molecular nitrogen} |
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| 40 | CH4 = C + 4H ; {methane} |
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| 41 | CO2 = C + 2O ; {carbon dioxide} |
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| 42 | |
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